U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H19N5O4
Molecular Weight 417.4174
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-

SMILES

COC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC(O)=CC=C5C

InChI

InChIKey=JTWMOWRMSZZHDR-UHFFFAOYSA-N
InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)

HIDE SMILES / InChI

Molecular Formula C22H19N5O4
Molecular Weight 417.4174
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:34:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:34:42 GMT 2025
Record UNII
8S7CMB69GB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(5-Hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Preferred Name English
1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-
Systematic Name English
7-(5-hydroxy-2-methylphenyl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
Systematic Name English
Code System Code Type Description
CAS
1192216-03-7
Created by admin on Mon Mar 31 22:34:42 GMT 2025 , Edited by admin on Mon Mar 31 22:34:42 GMT 2025
PRIMARY
PUBCHEM
44478401
Created by admin on Mon Mar 31 22:34:42 GMT 2025 , Edited by admin on Mon Mar 31 22:34:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID701351972
Created by admin on Mon Mar 31 22:34:42 GMT 2025 , Edited by admin on Mon Mar 31 22:34:42 GMT 2025
PRIMARY
FDA UNII
8S7CMB69GB
Created by admin on Mon Mar 31 22:34:42 GMT 2025 , Edited by admin on Mon Mar 31 22:34:42 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR